What are the molecular targets of chlorogenic acid (CGA) and cinnamaldehyde (CA) in breast cancer cells?

Label:chem

Topic
The PI3K/Akt signaling pathway is a key driver of breast-cancer cell survival, proliferation, invasion and metastasis, and its upstream mediators (PI3K, Akt, PDK1) are validated therapeutic targets.
Answer
In silico docking predicts that CGA binds Akt (Asp 274, Lys 276, Asn 279, Leu 295, Phe 309, Cys 310, Gly 311), PI3K (Ser 7, Ile 121, Lys 672, Ser 673, Met 675, His 676, Ile 713, Asn 803, Val 845) and PDK1 (Leu 88, Val 96, Ala 109, Lys 111, Ser 160, Ala 162, Glu 209, Leu 212, Thr 222, Asp 223), whereas CA binds Akt (Leu 156, Gly 157, Val 164, Ala 177, Ala 230, Met 281), PI3K (Trp 669, Lys 672, Glu 674, His 676, Val 706, Met 709, Ile 713, Ile 841, Gly 842, Asp 843) and PDK1 (Leu 88, Val 96, Ala 109, Lys 111, Leu 159, Ser 160, Ala 162, Leu 212, Thr 222). Both compounds occupy catalytic/kinase domains, predicted to block phosphorylation and downstream signaling.
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